Microscopic analysis of 5d states splitting and charge transfer energies dependence on interionic distance in alkaline earth fluorides doped with light trivalent lanthanides

Spectroscopy Letters

Volumn 40, Issue 2, 2007, Pages 221-235

  Brik, Mikhail G ^a,b   Ogasawara, Kazuyoshi ^a  

^a KWANSEI GAKUIN UNIVERSITY   (Japan)

^b KYOTO UNIVERSITY   (Japan)

Author keywords

Charge transfer transitions; Crystal field; First principles calculations; Trivalent rare earth ions

Indexed keywords

EID: 33947668341     PISSN: 00387010     EISSN: 15322289     Source Type: Journal    
DOI: 10.1080/00387010701247290     Document Type: Article

References (33)

1. Dieke, G. H. Spectra and Energy Levels of Rare Earth Ions in Crystals; Wiley Interscience: New York, 1968.
2. Görller-Walrand, C.; Binnemans, K. Handbook on the Physics and Chemistry of Rare Earths; Gschneidner, J. K. A. and Eyring, L., (eds.); North-Holland: Amsterdam, 1996 Vol. 23, pp. 121-283.
3. Meijerink, A.; Wegh, R. T. VUV spectroscopy of lanthanides: extending the horizon. Mater. Sci. Forum 1999, 315-317, 11-26.
4. n-15d transitions for heavy lanthanides in fluoride hosts. Phys. Rev. B 1999, 60, 10820-10830.
5. Wegh, R. T.; Meijerink, A.; Lamminmäki, R. J. Hölsä, J. Extending Dieke's diagram. J. Lumin. 2000, 87-89, 1002-1004.
6. Dorenbos, P. The 5d level positions of the trivalent lanthanides in inorganic compounds. J. Lumin. 2000, 91, 155-176.
7. n-15d transitions of the trivalent lanthanides in halogenides and chalcogenides. J. Lumin. 2000, 91, 91-106.
8. 4. Phys. Rev. B 2000, 62, 14744-14749.
9. n-15d transitions of the light lanthanides: experiment and theory. Phys. Rev. B 2002, 65, 045113.
10. n-15d transitions of the heavy lanthanides: experiment and theory. Phys. Rev. B 2002, 65, 045114.
11. Dorenbos, P. Systematic behavior in trivalent lanthanide charge transfer energies. J. Phys. Condens. Matter 2003, 15, 8417-8434.
12. 3+ in elpasolite lattices. Phys. Rev. B 2003, 67, 115102.
13. n-15d transitions of rare-earth ions in crystals. J. Alloys Compd. 2004, 366, 34-40.
14. Tanner, P. A. Spectra, energy levels and energy transfer in high symmetry lanthanide compounds. Topics Curr. Chem. 2004, 241, 167-278.
15. 4 crystal. J. Solid State Chem. 2004, 178, 412-418.
16. Shi, J. S.; Wu, Z. J.; Zhou, S. H.; Zhang, S. Y. Dependence of crystal field splitting of 5d levels on hosts in halide crystals. Chem. Phys. Lett. 2003, 380, 245-250.
17. 2. Phys. Rev. B 2001, 64, 115413.
18. Rosén, A.; Ellis, D. E.; Adachi, H.; Averill, F. W. Calculations of molecular ionization energies using a self-consistent charge Hartree-Fock-Slater method. J. Chem. Phys. 1976, 65, 3629-3634.
19. 1 energy level schemes of free trivalent rare-earth ions. Jpn. J. Appl. Phys. 2004, 43, L611-L613.
20. n energy level schemes of free trivalent lanthanides. Jpn. J. Appl. Phys. 2005, 44, 7488-7490.
21. 2 and related compounds. Phys. Rev. B 2005, 72, 075123.
22. 3+. Eur. Phys. J. B 2006, 49, 269-274.
23. 3. J. Phys. Chem. Solids 2006, 67, 856-861.
24. 2+x, x = 0.1 (at 296 and 170 K) crystals. Kristallografiya 1996, 41, 438-443.
25. 2, at the spallation neutron source ISIS. Acta Cryst. A 1989, 45, 244-247.
26. 2, a new mineral from Nevada. American Mineralogist 1974, 59, 885-888.
27. Sugano, S.; Tanabe, Y.; Kamimura, H. Multiplets of Transition-Metal Ions in Crystals; Academic Press: New York, 1970.
28. Moreno, M.; Barriuso, M. T.; Aramburu, J. A.; García- Fernández, P.; García-Lastra, J. M. Microscopic insight into properties and electronic instabilities of impurities in cubic and lower symmetry insulators: the influence of pressure. J. Phys. Condens. Matter 2006, 18, R315-R360.
29. 3+ ion in alkaline-earth fluorides. Phys. Rev. 1967, 154, 270-276.
30. 3+ ion in alkaline-earth fluorides. Phys. Rev. 1967, 158, 273-279.
31. 4+ in oxides: density functional study. Solid State Commun. 1998, 108, 1001-1005.
32. Ionova, G.; Krupa, J. C.; Gérard, I.; Guillaumont, R. Systematic in electron-transfer energies for lanthanides and actinides. New J. Chem. 1995, 19, 677-689.
33. Park, K.-H.; Oh, S.-J. Electron-spectroscopy study of rare-earth trihalides. Phys. Rev. B 1993, 48, 14833-14842.